2,5-dimethyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[(1S)-3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[(2S)-4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[(1S)-3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzenesulfonamide Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O3S2/c1-16-5-6-17(2)19(15-16)31(28,29)24-18(7-14-30-3)20(27)25-10-12-26(13-11-25)21-22-8-4-9-23-21/h4-6,8-9,15,18,24H,7,10-14H2,1-3H3/t18-/m0/s1